Toward a quantum computer that calculates molecular energy

Toward a quantum computer that calculates molecular energy

2 years ago
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https://www.sciencedaily.com/releases/2022/03/220316120824.htm

Developed by Columbia chemistry professor David Reichman and postdoc Joonho Lee with researchers at Google Quantum AI, the algorithm uses up to 16 qubits on Sycamore, Google's 53-qubit computer, to calculate ground state energy, the lowest energy state of a molecule. "These are the largest quantum chemistry calculations that have ever been done on a real quantum device," Reichman said.

The ability to accurately calculate ground state energy, will enable chemists to develop new materials, said Lee, who is also a visiting researcher at Google Quantum AI. The algorithm could be used to design materials to speed up nitrogen fixation for farming and hydrolysis for making clean energy, among other sustainability goals, he said.